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bis(Dibenzylthiocarbamoyl) disulfide

View entire compound with spectra: 3 NMR, 2 FTIR, and 1 MS (GC)

bis(Dibenzylthiocarbamoyl) disulfide
SpectraBase Compound ID Btk0VHszcED
InChI InChI=1S/C30H28N2S4/c33-29(31(21-25-13-5-1-6-14-25)22-26-15-7-2-8-16-26)35-36-30(34)32(23-27-17-9-3-10-18-27)24-28-19-11-4-12-20-28/h1-20H,21-24H2
InChIKey WITDFSFZHZYQHB-UHFFFAOYSA-N
Mol Weight 544.8 g/mol
Molecular Formula C30H28N2S4
Exact Mass 544.113534 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 62xTX5akVYw
Name bis(Dibenzylthiocarbamoyl) disulfide
Comments Computed using HOSE algorithm
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Exact Mass 544.113533606 u
Formula C30H28N2S4
InChI InChI=1S/C30H28N2S4/c33-29(31(21-25-13-5-1-6-14-25)22-26-15-7-2-8-16-26)35-36-30(34)32(23-27-17-9-3-10-18-27)24-28-19-11-4-12-20-28/h1-20H,21-24H2
InChIKey WITDFSFZHZYQHB-UHFFFAOYSA-N
Molecular Weight 544.808 g/mol
SMILES C=1C(=CC=CC1)CN(C(SSC(N(CC=1C=CC=CC1)CC=1C=CC=CC1)=S)=S)CC=1C=CC=CC1